3-methyl-N-[[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 3-methyl-N-[[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-(2-morpholino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[[5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[(2-keto-2-morpholino-ethyl)thio]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)N3CCOCC3

InChI

InChI=1S/C20H25N5O3S/c1-3-7-25-17(13-21-19(27)16-6-4-5-15(2)12-16)22-23-20(25)29-14-18(26)24-8-10-28-11-9-24/h3-6,12H,1,7-11,13-14H2,2H3,(H,21,27)